2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid

C17H19NO2 — CID 65069244

IUPAC2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
SMILESCC(c1cccc2ccccc12)N1CC(CC(=O)O)C1
InChIInChI=1S/C17H19NO2/c1-12(18-10-13(11-18)9-17(19)20)15-8-4-6-14-5-2-3-7-16(14)15/h2-8,12-13H,9-11H2,1H3,(H,19,20)
InChIKeyZCWONPBHKYOSHN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.31
Rot. Bonds4

About 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid

2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid (PubChem CID 65069244) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
PubChem CID65069244
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
SMILESCC(c1cccc2ccccc12)N1CC(CC(=O)O)C1
InChIInChI=1S/C17H19NO2/c1-12(18-10-13(11-18)9-17(19)20)15-8-4-6-14-5-2-3-7-16(14)15/h2-8,12-13H,9-11H2,1H3,(H,19,20)
InChIKeyZCWONPBHKYOSHN-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636
1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
CID 65069833
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
2-[1-[1-(5-bromo-2-fluorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 82973801
(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 162354734
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
1-[(1R)-1-naphthalen-1-ylethyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 90670154
S-[[1-[(1S)-1-naphthalen-1-ylethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666024

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid (CID 65069244) is 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid is CC(c1cccc2ccccc12)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid?
The InChIKey is ZCWONPBHKYOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(18-10-13(11-18)9-17(19)20)15-8-4-6-14-5-2-3-7-16(14)15/h2-8,12-13H,9-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid?
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).